REMARK Name = BDB059994 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.702 1.290 -0.046 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.467 2.631 0.634 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.580 2.764 2.029 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.353 3.994 2.647 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.009 5.106 1.881 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.893 4.990 0.497 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.121 3.760 -0.123 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.590 0.272 0.336 0.00 0.00 +0.205 C ATOM 9 O LIG 1 -0.821 -0.692 1.076 0.00 0.00 -0.288 OA BRANCH 8 14 ATOM 10 C LIG 1 4.638 -1.047 0.301 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.279 -0.076 -0.649 0.00 0.00 +0.036 A ATOM 12 C LIG 1 2.936 0.320 -0.703 0.00 0.00 +0.067 A ATOM 13 C LIG 1 1.954 -0.198 0.131 0.00 0.00 +0.030 A ATOM 14 C LIG 1 0.749 0.471 -0.246 0.00 0.00 +0.137 A ATOM 15 N LIG 1 0.971 1.326 -1.264 0.00 0.00 -0.170 NA ATOM 16 C LIG 1 2.322 -1.168 1.081 0.00 0.00 +0.013 A ATOM 17 N LIG 1 2.290 1.227 -1.496 0.00 0.00 -0.276 N ATOM 18 H LIG 1 2.696 1.806 -2.222 0.00 0.00 +0.189 HD ATOM 19 C LIG 1 3.662 -1.580 1.155 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 9.305 -2.349 -0.797 0.00 0.00 +0.172 C ATOM 21 N LIG 1 8.075 -2.070 -0.095 0.00 0.00 -0.274 N ATOM 22 N LIG 1 8.006 -2.289 1.229 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.753 -1.945 1.537 0.00 0.00 +0.142 A ATOM 24 C LIG 1 6.016 -1.495 0.415 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.913 -1.593 -0.630 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.036 0.734 0.325 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.020 -0.272 0.147 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -4.126 1.356 -0.432 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.491 0.759 -0.050 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -5.667 -0.676 -0.493 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -5.441 -1.728 0.406 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.585 -3.055 -0.005 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.958 -3.344 -1.321 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -6.184 -2.300 -2.223 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -6.037 -0.973 -1.811 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.107 -4.705 -1.745 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.229 -5.806 -2.094 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9